KOS

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 3
PubChem 42626880
Molecular Formula

C32H48N4O8

SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)N=C2CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16,18,20,25-26,28,30,34,38H,12-15,17H2,1-8H3,(H2,33,41)/b11-9-,19-10+,21-16+,35-23?/t18-,20+,25+,26+,28-,30+/m1/s1

synonyms
  • KOS
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Properties
Property Value
MW 616.7 g/mol
HBD 3
HBA 10
Rotatable Bond Count 8
Exact Mass 616.34721450 g/mol
Monoisotopic Mass 616.34721450 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1230
xlogp 2
Topological Polar Surface Area 170